Chemical Properties of 3-Phenylpropionic acid, oct-3-en-2-yl ester

InChI

InChI=1S/C17H24O2/c1-3-4-5-7-10-15(2)19-17(18)14-13-16-11-8-6-9-12-16/h6-12,15H,3-5,13-14H2,1-2H3/b10-7+

InChI Key

MAKKQAYXFZLERU-JXMROGBWSA-N

Formula

C17H24O2

SMILES

CCCCC=CC(C)OC(=O)CCc1ccccc1

Molecular Weight¹

260.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.88	kJ/mol	Joback Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
logPoct/wat	4.297		Crippen Calculated Property
McVol	229.770	ml/mol	McGowan Calculated Property
Inp	[1829.00; 1829.00]
Inp	1829.00		NIST
Inp	1829.00		NIST
Tboil	563.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.88; 755.92]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.69250e+01
Coefficient B			1.51104e+00
Coefficient C			-9.24600e-04
Coefficient D			2.06400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.88	J/mol×K	273.00	Calculated Property
Cp,gas	391.06	J/mol×K	353.78	Calculated Property
Cp,gas	462.04	J/mol×K	434.56	Calculated Property
Cp,gas	524.47	J/mol×K	515.33	Calculated Property
Cp,gas	578.99	J/mol×K	596.11	Calculated Property
Cp,gas	626.26	J/mol×K	676.89	Calculated Property
Cp,gas	666.94	J/mol×K	757.67	Calculated Property
Cp,gas	701.67	J/mol×K	838.44	Calculated Property
Cp,gas	731.11	J/mol×K	919.22	Calculated Property
Cp,gas	755.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029734; 0.0001100]	Pa×s	[330.02; 614.88]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.29339e+01
Coefficient B			2.34836e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			330.02
Temperature range, max.			614.88
η	0.0029734	Pa×s	330.02	Calculated Property
η	0.0015951	Pa×s	361.67	Calculated Property
η	0.0009460	Pa×s	393.32	Calculated Property
η	0.0006064	Pa×s	424.97	Calculated Property
η	0.0004134	Pa×s	456.62	Calculated Property
η	0.0002962	Pa×s	488.28	Calculated Property
η	0.0002210	Pa×s	519.93	Calculated Property
η	0.0001706	Pa×s	551.58	Calculated Property
η	0.0001354	Pa×s	583.23	Calculated Property
η	0.0001100	Pa×s	614.88	Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenylpropionic acid, oct-3-en-2-yl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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